CID 86141
TL;DR: CID 86141 (CAS 114593-86-1) is a chemical compound with molecular formula C26H38O8 and molecular weight 478.25668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate
4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate
Also Known As: Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(4-methoxy-1,4-dioxobutoxy)-, (11beta)-, 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate
Technical Specifications
| Molecular Formula | C26H38O8 |
| Molecular Weight | 478.25668 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 478.25668 Da |
| Heavy Atoms | 34 |
| Complexity | 882.0 |
| SMILES | CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(COC(=O)CCC(=O)OC)O)O)C)O |
| InChIKey | HEJDDMXNBGPGQJ-UHFFFAOYSA-N |
Chemical Property Profile of CID 86141
Property Insights of CID 86141
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 86141. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 86141. Following Lipinski's Rule of Five, CID 86141 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of CID 86141?
The CAS number of CID 86141 is 114593-86-1.
What is the molecular formula of CID 86141?
The molecular formula of CID 86141 is C26H38O8.
What is the molecular weight of CID 86141?
The molecular weight of CID 86141 is 478.25668 g/mol.
Where can I buy CID 86141?
You can request a quote for CID 86141 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CID 86141?
Yes, CoreyChem provides custom synthesis services for CID 86141 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.